CID 185717

4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine

Structural Information

Molecular Formula
C11H12ClN
SMILES
C1CNCC=C1C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H12ClN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-5,13H,6-8H2
InChIKey
SXOMHACGFSJBIO-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

482
Patents

193.06583 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.07311 140.1
[M+Na]+ 216.05505 147.3
[M-H]- 192.05855 143.4
[M+NH4]+ 211.09965 158.1
[M+K]+ 232.02899 141.6
[M+H-H2O]+ 176.06309 133.5
[M+HCOO]- 238.06403 155.2
[M+CH3COO]- 252.07968 152.1
[M+Na-2H]- 214.04050 146.2
[M]+ 193.06528 136.3
[M]- 193.06638 136.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe